N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide

C19H22N6O — CID 157018162

IUPACN-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide
SMILESCn1cnc2cnc(N3CCC(C(=O)NCc4ccccc4)CC3)nc21
InChIInChI=1S/C19H22N6O/c1-24-13-22-16-12-21-19(23-17(16)24)25-9-7-15(8-10-25)18(26)20-11-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3,(H,20,26)
InChIKeyRCIIAFKRCVYHNM-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.90
Rot. Bonds4

About N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide

N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide (PubChem CID 157018162) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide
PubChem CID157018162
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide
SMILESCn1cnc2cnc(N3CCC(C(=O)NCc4ccccc4)CC3)nc21
InChIInChI=1S/C19H22N6O/c1-24-13-22-16-12-21-19(23-17(16)24)25-9-7-15(8-10-25)18(26)20-11-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3,(H,20,26)
InChIKeyRCIIAFKRCVYHNM-UHFFFAOYSA-N
XLogP1.90
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
N-benzyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165874
1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53107338
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
ethyl 1-[4-amino-5-(benzylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 53143945
methyl 6-[4-(benzylcarbamoyl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133432193
1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 46108688
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 134699717
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107339

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide (CID 157018162) is N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide is Cn1cnc2cnc(N3CCC(C(=O)NCc4ccccc4)CC3)nc21.
What is the InChIKey of N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide?
The InChIKey is RCIIAFKRCVYHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-24-13-22-16-12-21-19(23-17(16)24)25-9-7-15(8-10-25)18(26)20-11-14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3,(H,20,26).
What are the key properties of N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide?
N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 157018162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).